CN116235046A - 分析数据的处理装置、分析装置、分析数据的处理方法以及解析程序 - Google Patents
分析数据的处理装置、分析装置、分析数据的处理方法以及解析程序 Download PDFInfo
- Publication number
- CN116235046A CN116235046A CN202080105671.8A CN202080105671A CN116235046A CN 116235046 A CN116235046 A CN 116235046A CN 202080105671 A CN202080105671 A CN 202080105671A CN 116235046 A CN116235046 A CN 116235046A
- Authority
- CN
- China
- Prior art keywords
- substance
- substances
- information
- sample
- analysis
- Prior art date
- Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
- Pending
Links
- 238000004458 analytical method Methods 0.000 title claims abstract description 143
- 238000012545 processing Methods 0.000 title claims abstract description 61
- 238000003672 processing method Methods 0.000 title description 5
- 239000000126 substance Substances 0.000 claims abstract description 713
- 238000006243 chemical reaction Methods 0.000 claims abstract description 20
- 238000000354 decomposition reaction Methods 0.000 claims abstract description 18
- 238000001514 detection method Methods 0.000 claims description 82
- 238000003795 desorption Methods 0.000 claims description 22
- 238000005979 thermal decomposition reaction Methods 0.000 claims description 22
- 238000000034 method Methods 0.000 claims description 19
- 238000000605 extraction Methods 0.000 claims description 13
- 238000004587 chromatography analysis Methods 0.000 claims description 11
- XNGIFLGASWRNHJ-UHFFFAOYSA-L phthalate(2-) Chemical compound [O-]C(=O)C1=CC=CC=C1C([O-])=O XNGIFLGASWRNHJ-UHFFFAOYSA-L 0.000 claims description 11
- 238000004949 mass spectrometry Methods 0.000 claims description 10
- 230000008569 process Effects 0.000 claims description 10
- 239000011347 resin Substances 0.000 claims description 10
- 229920005989 resin Polymers 0.000 claims description 10
- 238000002290 gas chromatography-mass spectrometry Methods 0.000 claims description 9
- 238000001819 mass spectrum Methods 0.000 claims description 8
- 238000004817 gas chromatography Methods 0.000 claims description 6
- 229920000426 Microplastic Polymers 0.000 claims description 5
- 229920003002 synthetic resin Polymers 0.000 claims description 3
- 239000000057 synthetic resin Substances 0.000 claims description 3
- 238000012986 modification Methods 0.000 description 42
- 230000004048 modification Effects 0.000 description 42
- 150000002500 ions Chemical class 0.000 description 32
- 239000007789 gas Substances 0.000 description 27
- 238000000926 separation method Methods 0.000 description 21
- 238000004891 communication Methods 0.000 description 15
- OMOVVBIIQSXZSZ-UHFFFAOYSA-N [6-(4-acetyloxy-5,9a-dimethyl-2,7-dioxo-4,5a,6,9-tetrahydro-3h-pyrano[3,4-b]oxepin-5-yl)-5-formyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 2-hydroxy-3-methylpentanoate Chemical compound CC12C(OC(=O)C(O)C(C)CC)C(OC=O)C(C3(C)C(CC(=O)OC4(C)COC(=O)CC43)OC(C)=O)C(=C)C32OC3CC1C=1C=COC=1 OMOVVBIIQSXZSZ-UHFFFAOYSA-N 0.000 description 10
- 238000004364 calculation method Methods 0.000 description 10
- 238000010586 diagram Methods 0.000 description 9
- 230000010365 information processing Effects 0.000 description 9
- 239000000203 mixture Substances 0.000 description 9
- XNGIFLGASWRNHJ-UHFFFAOYSA-N phthalic acid Chemical compound OC(=O)C1=CC=CC=C1C(O)=O XNGIFLGASWRNHJ-UHFFFAOYSA-N 0.000 description 7
- IPKKHRVROFYTEK-UHFFFAOYSA-N dipentyl phthalate Chemical compound CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC IPKKHRVROFYTEK-UHFFFAOYSA-N 0.000 description 6
- 230000006870 function Effects 0.000 description 6
- 238000005259 measurement Methods 0.000 description 6
- 229920000642 polymer Polymers 0.000 description 6
- 230000014759 maintenance of location Effects 0.000 description 5
- 239000004417 polycarbonate Substances 0.000 description 5
- -1 1,2-benzenedicarboxylic acid ester Chemical class 0.000 description 4
- 239000012159 carrier gas Substances 0.000 description 4
- 238000010438 heat treatment Methods 0.000 description 4
- 239000004793 Polystyrene Substances 0.000 description 3
- PPBRXRYQALVLMV-UHFFFAOYSA-N Styrene Chemical group C=CC1=CC=CC=C1 PPBRXRYQALVLMV-UHFFFAOYSA-N 0.000 description 3
- JANBFCARANRIKJ-UHFFFAOYSA-N bis(3-methylbutyl) benzene-1,2-dicarboxylate Chemical compound CC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C JANBFCARANRIKJ-UHFFFAOYSA-N 0.000 description 3
- 125000004432 carbon atom Chemical group C* 0.000 description 3
- 238000003776 cleavage reaction Methods 0.000 description 3
- 125000005498 phthalate group Chemical class 0.000 description 3
- 229920002223 polystyrene Polymers 0.000 description 3
- 239000000047 product Substances 0.000 description 3
- 238000000197 pyrolysis Methods 0.000 description 3
- 230000007017 scission Effects 0.000 description 3
- MCXWUHMDAJQKBI-UHFFFAOYSA-N 2-o-(3-methylbutyl) 1-o-pentyl benzene-1,2-dicarboxylate Chemical compound CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C MCXWUHMDAJQKBI-UHFFFAOYSA-N 0.000 description 2
- 239000003463 adsorbent Substances 0.000 description 2
- 125000004429 atom Chemical group 0.000 description 2
- 150000001875 compounds Chemical class 0.000 description 2
- 230000000694 effects Effects 0.000 description 2
- 230000007613 environmental effect Effects 0.000 description 2
- 238000011002 quantification Methods 0.000 description 2
- 239000007787 solid Substances 0.000 description 2
- 241000894007 species Species 0.000 description 2
- 241000058445 Celina Species 0.000 description 1
- 229920002292 Nylon 6 Polymers 0.000 description 1
- 239000004698 Polyethylene Substances 0.000 description 1
- 239000004743 Polypropylene Substances 0.000 description 1
- 230000009471 action Effects 0.000 description 1
- 230000002411 adverse Effects 0.000 description 1
- 230000015572 biosynthetic process Effects 0.000 description 1
- 230000008859 change Effects 0.000 description 1
- 238000012512 characterization method Methods 0.000 description 1
- 238000000451 chemical ionisation Methods 0.000 description 1
- 238000011208 chromatographic data Methods 0.000 description 1
- 238000004590 computer program Methods 0.000 description 1
- 238000007405 data analysis Methods 0.000 description 1
- 239000007857 degradation product Substances 0.000 description 1
- 238000001212 derivatisation Methods 0.000 description 1
- 238000013461 design Methods 0.000 description 1
- 238000004090 dissolution Methods 0.000 description 1
- 230000000214 effect on organisms Effects 0.000 description 1
- 238000005516 engineering process Methods 0.000 description 1
- 150000002148 esters Chemical class 0.000 description 1
- 238000000105 evaporative light scattering detection Methods 0.000 description 1
- 239000001307 helium Substances 0.000 description 1
- 229910052734 helium Inorganic materials 0.000 description 1
- SWQJXJOGLNCZEY-UHFFFAOYSA-N helium atom Chemical compound [He] SWQJXJOGLNCZEY-UHFFFAOYSA-N 0.000 description 1
- 230000006698 induction Effects 0.000 description 1
- 238000000752 ionisation method Methods 0.000 description 1
- 239000004973 liquid crystal related substance Substances 0.000 description 1
- 230000007246 mechanism Effects 0.000 description 1
- 230000003287 optical effect Effects 0.000 description 1
- 230000002093 peripheral effect Effects 0.000 description 1
- 229920003229 poly(methyl methacrylate) Polymers 0.000 description 1
- 229920000515 polycarbonate Polymers 0.000 description 1
- 229920000573 polyethylene Polymers 0.000 description 1
- 239000004926 polymethyl methacrylate Substances 0.000 description 1
- 229920001155 polypropylene Polymers 0.000 description 1
- 229920000915 polyvinyl chloride Polymers 0.000 description 1
- 239000004800 polyvinyl chloride Substances 0.000 description 1
- 238000002360 preparation method Methods 0.000 description 1
- 238000000045 pyrolysis gas chromatography Methods 0.000 description 1
- 238000005143 pyrolysis gas chromatography mass spectroscopy Methods 0.000 description 1
- 238000000009 pyrolysis mass spectrometry Methods 0.000 description 1
- 238000003908 quality control method Methods 0.000 description 1
- 238000002098 selective ion monitoring Methods 0.000 description 1
- 238000001228 spectrum Methods 0.000 description 1
- 150000003440 styrenes Chemical class 0.000 description 1
- 239000013638 trimer Substances 0.000 description 1
Images
Classifications
-
- G—PHYSICS
- G01—MEASURING; TESTING
- G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
- G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
- G01N30/02—Column chromatography
- G01N30/86—Signal analysis
-
- G—PHYSICS
- G01—MEASURING; TESTING
- G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
- G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
- G01N30/02—Column chromatography
- G01N30/86—Signal analysis
- G01N30/8675—Evaluation, i.e. decoding of the signal into analytical information
-
- G—PHYSICS
- G01—MEASURING; TESTING
- G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
- G01N27/00—Investigating or analysing materials by the use of electric, electrochemical, or magnetic means
- G01N27/62—Investigating or analysing materials by the use of electric, electrochemical, or magnetic means by investigating the ionisation of gases, e.g. aerosols; by investigating electric discharges, e.g. emission of cathode
-
- H—ELECTRICITY
- H01—ELECTRIC ELEMENTS
- H01J—ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
- H01J49/00—Particle spectrometers or separator tubes
- H01J49/0027—Methods for using particle spectrometers
- H01J49/0036—Step by step routines describing the handling of the data generated during a measurement
-
- G—PHYSICS
- G01—MEASURING; TESTING
- G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
- G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
- G01N30/02—Column chromatography
- G01N30/62—Detectors specially adapted therefor
- G01N30/72—Mass spectrometers
-
- G—PHYSICS
- G01—MEASURING; TESTING
- G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
- G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
- G01N30/02—Column chromatography
- G01N30/88—Integrated analysis systems specially adapted therefor, not covered by a single one of the groups G01N30/04 - G01N30/86
Landscapes
- Chemical & Material Sciences (AREA)
- Analytical Chemistry (AREA)
- General Health & Medical Sciences (AREA)
- Immunology (AREA)
- Health & Medical Sciences (AREA)
- Life Sciences & Earth Sciences (AREA)
- Physics & Mathematics (AREA)
- Biochemistry (AREA)
- Pathology (AREA)
- General Physics & Mathematics (AREA)
- Engineering & Computer Science (AREA)
- Library & Information Science (AREA)
- Chemical Kinetics & Catalysis (AREA)
- Electrochemistry (AREA)
- Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
- Investigating Or Analysing Biological Materials (AREA)
Applications Claiming Priority (1)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| PCT/JP2020/036989 WO2022070274A1 (fr) | 2020-09-29 | 2020-09-29 | Dispositif de traitement de données d'analyse, dispositif d'analyse, procédé de traitement de données d'analyse et programme d'analyse |
Publications (1)
| Publication Number | Publication Date |
|---|---|
| CN116235046A true CN116235046A (zh) | 2023-06-06 |
Family
ID=80951265
Family Applications (1)
| Application Number | Title | Priority Date | Filing Date |
|---|---|---|---|
| CN202080105671.8A Pending CN116235046A (zh) | 2020-09-29 | 2020-09-29 | 分析数据的处理装置、分析装置、分析数据的处理方法以及解析程序 |
Country Status (4)
| Country | Link |
|---|---|
| US (1) | US20230366862A1 (fr) |
| JP (1) | JPWO2022070274A1 (fr) |
| CN (1) | CN116235046A (fr) |
| WO (1) | WO2022070274A1 (fr) |
Family Cites Families (6)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| JPH09257780A (ja) * | 1996-03-21 | 1997-10-03 | Shimadzu Corp | クロマトグラフィー／質量分析計のデータ処理装置 |
| JP3801355B2 (ja) * | 1998-07-16 | 2006-07-26 | フロンティア・ラボ株式会社 | 未知試料検索方法、未知試料検索装置及び未知試料検索用記録媒体 |
| JP2004257986A (ja) * | 2003-02-27 | 2004-09-16 | Frontier Lab Kk | 試料検索方法 |
| JP5786703B2 (ja) * | 2011-12-20 | 2015-09-30 | 株式会社島津製作所 | クロマトグラフ質量分析装置用データ処理装置 |
| EP3605077B1 (fr) * | 2017-03-23 | 2023-04-26 | Shimadzu Corporation | Spectromètre de masse et spectromètre chromatographique de masse |
| WO2019240289A1 (fr) * | 2018-06-15 | 2019-12-19 | 学校法人沖縄科学技術大学院大学学園 | Procédé et système permettant d'identifier une structure de composé |
-
2020
- 2020-09-29 WO PCT/JP2020/036989 patent/WO2022070274A1/fr active Application Filing
- 2020-09-29 JP JP2022553274A patent/JPWO2022070274A1/ja active Pending
- 2020-09-29 US US18/027,024 patent/US20230366862A1/en active Pending
- 2020-09-29 CN CN202080105671.8A patent/CN116235046A/zh active Pending
Also Published As
| Publication number | Publication date |
|---|---|
| WO2022070274A1 (fr) | 2022-04-07 |
| US20230366862A1 (en) | 2023-11-16 |
| JPWO2022070274A1 (fr) | 2022-04-07 |
Similar Documents
| Publication | Publication Date | Title |
|---|---|---|
| US6581013B1 (en) | Method for identifying compounds in a chemical mixture | |
| Leefmann et al. | UltraMassExplorer: a browser‐based application for the evaluation of high‐resolution mass spectrometric data | |
| JPWO2008053530A1 (ja) | 測定物質定量方法 | |
| JP4393270B2 (ja) | 質量分析装置および異性体分析方法 | |
| US7529630B2 (en) | Method of analyzing mass analysis data and apparatus for the method | |
| Franklin et al. | Ch3MS-RF: a random forest model for chemical characterization and improved quantification of unidentified atmospheric organics detected by chromatography–mass spectrometry techniques | |
| US6444979B1 (en) | Method of and apparatus for searching for unknown specimen, and recording medium with recorded program for searching for unknown specimen | |
| JP7485142B2 (ja) | 分析方法 | |
| US8134121B2 (en) | Chromatographic mass spectrometer | |
| CN113167764B (zh) | 分析装置的评价方法、分析装置的校正方法、分析方法、分析装置及计算机可读介质 | |
| JP7120329B2 (ja) | 検出方法、分析方法、分析装置およびプログラム | |
| CN116235046A (zh) | 分析数据的处理装置、分析装置、分析数据的处理方法以及解析程序 | |
| US11094399B2 (en) | Method, system and program for analyzing mass spectrometoric data | |
| CN115389683B (zh) | 溴系阻燃化合物的定量装置 | |
| Grimsrud et al. | Stoichiometry of the reaction of electrons with bromotrichloromethane in an electron capture detector | |
| JP3663140B2 (ja) | 質量分析方法および質量分析装置 | |
| JP7040607B2 (ja) | 質量分析方法、質量分析装置、プログラムおよび質量分析用キット | |
| CN116783480A (zh) | 色谱装置 | |
| Grayson | The mass spectrometer as a detector for gas chromatography | |
| WO2023026354A1 (fr) | Procédé de criblage pour échantillon comprenant du phénol, phosphate isopropyylé (3:1), et dispositif | |
| JP7375826B2 (ja) | 分析方法、分析装置およびプログラム | |
| WO2023119427A1 (fr) | Dispositif de spectrométrie de masse de chromatographe | |
| CN117705918A (zh) | 混合气体浓度监测方法及系统 | |
| CN115144455A (zh) | 质量分析数据的解析方法、程序和质量分析数据的解析装置 |
Legal Events
| Date | Code | Title | Description |
|---|---|---|---|
| PB01 | Publication | ||
| PB01 | Publication | ||
| SE01 | Entry into force of request for substantive examination | ||
| SE01 | Entry into force of request for substantive examination |